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51646-33-4

51646-33-4 structural image
Product Name: 2-BENZYLSULFANYL-5-METHYL-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-OL
Formula: C13H12N4OS
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COMPUTED DESCRIPTORS

Molecular Weight 272.33 g/mol
XLogP3 1.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 272.07318219 g/mol
Monoisotopic Mass 272.07318219 g/mol
Topological Polar Surface Area 82.4 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 477
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes